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1241675-38-6 | Benzoic acid, 2-(acetylamino)-4-bromo-, methyl ester
CAS No: 1241675-38-6 Catalog No: AG01F8FN MDL No:
Product Description
Catalog Number:
AG01F8FN
Chemical Name:
Benzoic acid, 2-(acetylamino)-4-bromo-, methyl ester
CAS Number:
1241675-38-6
Molecular Formula:
C10H10BrNO3
Molecular Weight:
272.0953
IUPAC Name:
methyl 2-acetamido-4-bromobenzoate
InChI:
InChI=1S/C10H10BrNO3/c1-6(13)12-9-5-7(11)3-4-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13)
InChI Key:
XWZNILWYRRXBBC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1NC(=O)C)Br
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.984g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.098g/mol
Monoisotopic Mass:
270.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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